1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine

C29H34N2O — CID 24825327

IUPAC1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine
SMILESC=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H34N2O/c1-25(26-11-5-2-6-12-26)17-18-30-19-21-31(22-20-30)23-24-32-29(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,29H,1,17-24H2
InChIKeyBEEXRDPWWKFYAY-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.51
Rot. Bonds10

About 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine

1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine (PubChem CID 24825327) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine
PubChem CID24825327
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine
SMILESC=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H34N2O/c1-25(26-11-5-2-6-12-26)17-18-30-19-21-31(22-20-30)23-24-32-29(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,29H,1,17-24H2
InChIKeyBEEXRDPWWKFYAY-UHFFFAOYSA-N
XLogP5.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzhydryloxyethyl)azetidine
CID 23275348
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide;hydrate;hydrochloride
CID 21152175
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile;hydrochloride
CID 54584728
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046252
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
2-[1-(2-benzhydryloxyethyl)piperidin-4-ylidene]acetic acid
CID 67946514

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine (CID 24825327) is 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine is C=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine?
The InChIKey is BEEXRDPWWKFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c1-25(26-11-5-2-6-12-26)17-18-30-19-21-31(22-20-30)23-24-32-29(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-16,29H,1,17-24H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine?
1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine has a molecular weight of 426.60 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine is sourced from PubChem (CID 24825327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).